1-{[4-(methoxycarbonyl)phenyl]methyl}-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Chemical Structure Depiction of
1-{[4-(methoxycarbonyl)phenyl]methyl}-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
1-{[4-(methoxycarbonyl)phenyl]methyl}-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide
Compound characteristics
| Compound ID: | 8008-7193 |
| Compound Name: | 1-{[4-(methoxycarbonyl)phenyl]methyl}-N-nitro-1H-1,2,4-triazol-4-ium-4-aminide |
| Molecular Weight: | 277.24 |
| Molecular Formula: | C11 H11 N5 O4 |
| Smiles: | COC(c1ccc(Cn2c[n+](cn2)[N-][N+]([O-])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.5368 |
| logD: | 0.5368 |
| logSw: | -1.6419 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 87.729 |
| InChI Key: | ZYCOYGYMZQZTSW-UHFFFAOYSA-N |